2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine

C22H16ClN5 — CID 10221716

IUPAC2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
SMILESCc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C22H16ClN5/c1-13-5-7-18-20(9-13)26-21(14-3-2-4-16(23)10-14)27-22(18)25-17-6-8-19-15(11-17)12-24-28-19/h2-12H,1H3,(H,24,28)(H,25,26,27)
InChIKeySOJVSGGARWFNOT-UHFFFAOYSA-N
MW385.86 g/mol
LogP5.88
Rot. Bonds3

About 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine

2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine (PubChem CID 10221716) has the molecular formula C22H16ClN5 and a molecular weight of 385.86 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
PubChem CID10221716
Molecular FormulaC22H16ClN5
Molecular Weight385.86 g/mol
Exact Mass385.11
IUPAC Name2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine
SMILESCc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3cccc(Cl)c3)nc2c1
InChIInChI=1S/C22H16ClN5/c1-13-5-7-18-20(9-13)26-21(14-3-2-4-16(23)10-14)27-22(18)25-17-6-8-19-15(11-17)12-24-28-19/h2-12H,1H3,(H,24,28)(H,25,26,27)
InChIKeySOJVSGGARWFNOT-UHFFFAOYSA-N
XLogP5.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.86
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine?
The IUPAC name of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine (CID 10221716) is 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine?
The canonical SMILES for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine is Cc1ccc2c(Nc3ccc4[nH]ncc4c3)nc(-c3cccc(Cl)c3)nc2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine?
The InChIKey is SOJVSGGARWFNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN5/c1-13-5-7-18-20(9-13)26-21(14-3-2-4-16(23)10-14)27-22(18)25-17-6-8-19-15(11-17)12-24-28-19/h2-12H,1H3,(H,24,28)(H,25,26,27).
What are the key properties of 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine?
2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine has a molecular weight of 385.86 g/mol, XLogP of 5.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(1H-indazol-5-yl)-7-methylquinazolin-4-amine is sourced from PubChem (CID 10221716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).